ChemDiv3_005047
TL;DR: ChemDiv3_005047 (CAS 685131-90-2) is a chemical compound with molecular formula C27H26N4O2 and molecular weight 438.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
Also Known As: ChemDiv3_005047, IDI1_022957, BRD-K68262233-001-01-7, N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide, N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
| Molecular Formula | C27H26N4O2 |
|---|---|
| Molecular Weight | 438.21 g/mol |
| LogP | 4.8431 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.20557 |
| Heavy Atoms | 33 |
| Complexity | 1372.2782 |
Chemical Identifiers
| CAS Number | 685131-90-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv3_005047 (CAS 685131-90-2), with molecular formula C27H26N4O2 and molecular weight 438.21 g/mol. IUPAC: N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.
Chemical Property Profile of ChemDiv3_005047
Property Insights of ChemDiv3_005047
The XLogP value of 4.8431 indicates that ChemDiv3_005047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005047. Following Lipinski's Rule of Five, ChemDiv3_005047 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005047?
The CAS number of ChemDiv3_005047 is 685131-90-2.
What is the molecular formula of ChemDiv3_005047?
The molecular formula of ChemDiv3_005047 is C27H26N4O2.
What is the molecular weight of ChemDiv3_005047?
The molecular weight of ChemDiv3_005047 is 438.21 g/mol.
Where can I buy ChemDiv3_005047?
You can request a quote for ChemDiv3_005047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005047?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.